Information card for entry 4350395

Structure parameters

• Formula: C56 H80 Ce N8 Na5 O10 S8
• Calculated formula: C56 H80 Ce N8 Na5 O10 S8
• SMILES: C1(C#N)=C(C#N)S[Ce]234(S1)(SC(=C(C#N)S2)C#N)(SC(=C(C#N)S4)C#N)SC(=C(C#N)S3)C#N.[Na]([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)[O]1CCCC1.[O]1(CCCC1)[Na][O]1CCCC1.[O]1(CCCC1)[Na][O]1CCCC1
• Title of publication: [Na5(THF)10Ce(mnt)4]infinity: a honeycomb network polymer that yields homoleptic cerium(III) tetrakis(dithiolene) complexes in donor solvents.
• Authors of publication: Weis, Eric M.; Barnes, Charles L.; Duval, Paul B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10126 - 10130
• a: 14.805 ± 0.005 Å
• b: 14.895 ± 0.005 Å
• c: 18.492 ± 0.006 Å
• α: 74.914 ± 0.005°
• β: 73.19 ± 0.006°
• γ: 71.56 ± 0.005°
• Cell volume: 3639 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No